MMsINC Database Search


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MMsINC code: MMs00590952

Type: Neutral
Formula: C₁₄H₁₇F₃N₂O

SMILES:

FC(F)(F)c1ccccc1NC(=O)NC1CCCCC1

InChI:

InChI=1/C14H17F3N2O/c15-14(16,17)11-8-4-5-9-12(11)19-13(20)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2,(H2,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.4143 kcal/mol

Physical Properties
Molecular Weight: 286.297 g/mol	logS: -3.95588	SlogP: 4.4711	Reactive groups: 0

Topological Properties
Globularity: 0.06988	Sterimol/B1: 3.22684	Sterimol/B2: 3.75442	Sterimol/B3: 3.83473
Sterimol/B4: 5.68915	Sterimol/L: 14.8678

Surface and Volume Properties
Accessible surface: 497.328	Positive charged surface: 286.68	Negative charged surface: 210.648	Volume: 252.25
Hydrophobic surface: 359.806	Hydrophilic surface: 137.522

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.